bis(1-ethylguanidine); sulfuric acid

• ChemBase ID: 150264
• Molecular Formular: C6H20N6O4S
• Molecular Mass: 272.3258
• Monoisotopic Mass: 272.12667415
• SMILES: CCNC(=N)N.CCNC(=N)N.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.CCNC(=N)N.CCNC(=N)N
• InChI: InChI=1S/2C3H9N3.H2O4S/c2*1-2-6-3(4)5;1-5(2,3)4/h2*2H2,1H3,(H4,4,5,6);(H2,1,2,3,4)
• InChIKey: UKQVDMIAGTYDFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1-ethylguanidine); sulfuric acid
• IUPAC Traditional name: bis(1-ethylguanidine); sulfuric acid
• Synonyms: 1-Ethylguanidine sulfate; 1-乙基胍 硫酸酯

Database IDs

• CAS Number: 3482-86-8
• EC Number: 222-467-1
• MDL Number: MFCD00013130
• PubChem SID: 162244425; 24856655
• PubChem CID: 2734809

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.0178745
• LogD (pH = 7.4): -3.017388
• Log P: -0.60242164
• Molar Refractivity: 35.382 cm^3
• Polarizability: 9.264662 Å^3
• Polar Surface Area: 61.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: [C2H5NHC(=NH)NH2]2·H2SO4

DETAILS

Sigma Aldrich - 275557

Packaging
5 g in glass bottle